Highly Efficient Quasi 2D Blue Perovskite Electroluminescence Leveraging a Dual Ligand Composition

Perovskite light-emitting diodes (PeLEDs) are advancing because of their superior external quantum efficiencies (EQEs) and color purity. Still, additional work is needed for blue PeLEDs to achieve the same benchmarks as the other visible colors. This study demonstrates an extremely efficient blue PeLED with a 488 nm peak emission, a maximum luminance of 8600 cd m⁻², and a maximum EQE of 12.2% by incorporating the double-sided ethane-1,2-diammonium bromide (EDBr₂) ligand salt along with the long-chain ligand methylphenylammonium chloride (MeCl). The EDBr₂ successfully improves the interaction between 2D perovskite layers by reducing the weak van der Waals interaction and creating a Dion–Jacobson (DJ) structure. Whereas the pristine sample (without EDBr₂) is inhibited by small stacking number (n) 2D phases with nonradiative recombination regions that diminish the PeLED performance, adding EDBr₂ successfully enables better energy transfer from small n phases to larger n phases. As evidenced by photoluminescence (PL), scanning electron microscopy (SEM), and atomic force microscopy (AFM) characterization, EDBr₂ improves the morphology by reduction of pinholes and passivation of defects, subsequently improving the efficiencies and operational lifetimes of quasi-2D blue PeLEDs.     

Flow simulations in arbitrarily complex cardiovascular anatomies – An unstructured Cartesian grid approach

Image guided computational fluid dynamics is attracting increasing attention as a tool for refining in vivo flow measurements or predicting the outcome of different surgical scenarios. Sharp interface Cartesian/Immersed-Boundary methods constitute an attractive option for handling complex in vivo geometries but their capability to carry out fine-mesh simulations in the branching, multi-vessel configurations typically encountered in cardiovascular anatomies or pulmonary airways has yet to be demonstrated. A major computational challenge stems from the fact that when such a complex geometry is immersed in a rectangular Cartesian box the excessively large number of grid nodes in the exterior of the flow domain imposes an unnecessary burden on both memory and computational overhead of the Cartesian solver without enhancing the numerical resolution in the region of interest. For many anatomies, this added burden could be large enough to render comprehensive mesh refinement studies impossible. To remedy this situation, we recast the original structured Cartesian formulation of Gilmanov and Sotiropoulos [Gilmanov A, Sotiropoulos F. A hybrid Cartesian/immersed boundary method for simulating flows with 3D, geometrically complex, moving bodies. J Comput Phys 2005;207(2):457–92] into an unstructured Cartesian grid layout. This simple yet powerful approach retains the simplicity and computational efficiency of a Cartesian grid solver, while drastically reducing its memory footprint. The method is applied to carry out systematic mesh refinement studies for several internal flow problems ranging in complexity from flow in a 90° pipe bend to flow in an actual, patient-specific anatomy reconstructed from magnetic resonance images. Finally, we tackle the challenging clinical scenario of a single-ventricle patient with severe arterio-venous malformations, seeking to provide a fluid dynamics prospective on a clinical problem and suggestions for procedure improvements. Results from these simulations demonstrate very complex cardiovascular flow dynamics and underscore the need for high-resolution simulations prior to drawing any clinical recommendations.     

Pilot tests of a new domestic ZhKD catalyst for the dehydrogenation of isoamilenes into isoprene

At the Synthetic Rubber Plant of OAO Nizhnekamskneftekhim, the dehydrogenation of isoamilenes into isoprene is currently performed on KDOM-08 catalysts with an insufficiently high yield of isoprene throughout the period of its industrial operation. More stable and highly active catalysts must be used to make the process more efficient. Under Russian Federation Government Decree No. 218, ZhKD-1 and ZhKD-2 iron-potassium catalysts have been developed by improving their formulas and optimizing their phase composition through selecting the proper ratio of initial compounds. To evaluate the possibility of transitioning to the new domestically-produced iron-potassium catalysts, we have performed pilot tests of the ZhKD-1 and ZhKD-2 catalysts in the dehydrogenation of methylbutenes into isoprene in adiabatic flow fixed-bed reactors at the Synthetic Rubber Plant of OAO Nizhnekamskneftekhim. The KDOM-08 catalyst used in the amount of 25 t in reactor 1 of the first system is taken as a base for comparison. The ZhKD-1 and ZhKD-2 catalysts are loaded into parallel reactors 7 and 8 of the fourth system. The KDOM-08 catalyst is shown to operate more efficiently under industrial conditions at loads of 1.0–2.0 t/h for 1000–3000 h, after which its performance characteristics deteriorate due to its gradual deactivation. The ZhKD-1 and ZhKD-2 catalysts are substantially superior to their industrial analogues in isoprene yield. It has been found that the ZhKD-2 catalysts operate more efficiently at even longer runs (4000–5000 h) and feedstock flow rates of 1.0–2.0 t/h, and the ZhKD-1 catalysts exhibits better activity (30–33 %) and selectivity (87–92 %) at higher loads of 2.3–3.0 t/h for up to 5000 h. From our analysis of the catalysts’ operation over the last 1000 h, it follows that at the same process temperatures (619°C) and feedstock loads (2.5 t/h), the ZhKD-1 and ZhKD-2 catalysts operate at a lower steam dilution coefficient (6.1 t/t) than the KDOM-08 catalyst (6.8 t/t). The rebuilding of reactors 7 and 8 allows the loaded catalyst mass to be reduced from 25 to 17 t, thereby almost doubling the daily output of isoprene per ton of catalyst. It is obvious that higher activity and selectivity along with smaller loads makes the use of the ZhKD-1 and ZhKD-2 catalysts economically profitable.     

Upgrading the industrial process flowsheet for the dehydration of methylbutenes to isoprene. II: Analysis of plant test results and industrial implementation of the upgraded design

Pilot tests of technology for the dehydration of methylbutenes to isoprene are performed in a tworeactor system with an additional supply of an overheated gas into the interreactor space. The tests are performed on a pilot plant with two adiabatic reactors. The total volume of the catalyst charge is 60 dm³, the temperatures are 565–620°С, the contact time is 0.18–0.25 s, the raw material is diluted with steam in a weight ratio of С₅Н₁₀: Н₂О = 1.0: (6.0–30.0), and the excess pressure is 0.6–0.7 kgf/cm². The dependence of the isoprene concentration in the contact gas on the heat energy supplied by the raw material and steam is determined under conventional conditions of the process and in a pseudo-isothermal mode via an additional supply of overheated gas into the interreactor space. It is shown that the isoprene yield is increased by 10–12% by using the upgraded mode. The conditions for conducting the industrial process are determined based on the obtained results. After upgrading the design, tests are performed at the synthetic rubber factory of PAO Nizhnekamskneftekhim on a plant for the dehydrogenation of methylbutenes in the reactor with a doublelayer catalyst bed (nine tons per layer). The patterns established during the pilot tests generally prove to be true, but the selectivity of the process is reduced due to a number of design flaws. Corrective measures are outlined. Comparison of the experimental results and the calculated values confirm the accuracy of the mathematical model.     

Effect of cerium on the transformation and reactivity of hematite in a reducing atmosphere

As is well known, cerium compounds are widely used as promoters in iron-potassium catalysts for the dehydrogenation of alkylaromatic and olefinic hydrocarbons. To determine the mechanism and role of cerium oxide in formation of catalytically active phases (potrassium ferrites), we must first study the effect of cerium on transformation and reactivity of iron oxide, which comprises 50 to 80% of the catalyst and participates in ferrite formation. In this work, the thermal behavior of cerium oxalate and the Fe₂O₃-CeO₂ model system, the main components in the production of iron-potassium catalysts, is examined by X-ray diffraction, thermal analysis, particle size distribution analysis, low-temperature nitrogen adsorption, and temperature-programmed hydrogen reduction under heating in air. It is shown that cerianite exhibits greater lability than hematite. It is established that introducing cerium into hematite improves the reactivity of the Fe₂O₃-CeO₂ system, and the partial reduction of Fe₂O₃ takes place upon its heating. The results from this work will be used in developing new iron-potassium catalysts with enhanced catalytic activity in the dehydrogenation of isoamilenes into isoprene.     

Roll bonding of AA5052 and polypropylene sheets: Bonding mechanisms,microstructure and mechanical properties

Structural, microstructural and mechanical properties in roll bonding of AA5052 and polypropylene sheets have been evaluated in this study. The surface roughness of the AA5052 sheets, rolling temperature and the surface energy of polymer were selected as the bonding variables. The findings indicated that an increase in the surface energy of polypropylene by grafting maleic anhydride would result in higher bonding strength due to chemical interaction between the AA5052 and the maleic anhydride grafted polypropylene (PP-g-MAH). In fact, this reaction caused the formation of an interphase layer at the polymer side of the interface and the diffusion of aluminum into the PP-g-MAH layer. It was also observed that an increase in the rolling temperature increases bonding strength because the polymer penetrates the AA5052 surface irregularities more easily, the PP-g-MAH molecules move more smoothly toward the AA5052 surface, and finally there are more chemical interactions among the layers. An Increase in the bonding strength through increasing the AA5052 surface roughness was attributed to an increase of the van der Waals force and more interaction surface among the layers along with higher mechanical interlocking in the shear tension test.     

Application of mesoporous magnetic carbon composite for reactive dyes removal: Process optimization using response surface methodology

Discharging the effluents of textile wastewaters into potable water resources can endanger the ecosystem, due to their reactivity, toxicity, and chemical stability. In this research, the application of powder activated carbon modified with magnetite nanoparticles (PAC-MNPs) as an adsorbent for removal of reactive dyes (Reactive black 5 (RB5) and reactive red 120 (RR120)) was studied in a batch system. The adsorption performance was evaluated as a function of temperature, contact time and different adsorbent and adsorbate concentrations. The levels of factors were statistically optimized using Box-Behnken Design (BBD) from the response surface methodology (RSM) to maximize the efficiency of the system. The adsorption process of both dyes was fit with the pseudo-second order kinetic and Langmuir isotherm models. The identified optimum conditions of adsorption were 38.7 °C, 46.3 min, 0.8 g/L and 102 mg/L for temperature, contact time, adsorbent dose, and initial dyes concentration, respectively. According to the Langmuir isotherm, the maximum sorption capacities of 175.4 and 172.4 mg/g were obtained for RB5 and RR120, respectively. Thermodynamics studies indicated that the adsorption process of the reactive dyes was spontaneous, feasible, and endothermic. After five cycles, the adsorption efficiency was around 84 and 83% for RB5 and RR120, respectively. A high value of desorption was achieved, suggesting that the PAC-MNPs have a good potential in regeneration and reusability, and also can be effectively utilized in industrial applications. PAC-MNPs also show a good anti-interference potential for removal of reactive dyes in dye-industry wastewaters.     

Multi-Objective Optimization Model for the Allocation of Water Resources in Arid Regions Based on the Maximization of Socioeconomic Efficiency

The escalating world population has led to a drastic increase in water demand in the municipal and drinking water, agriculture and industry sectors. This situation necessitates application of effective measures for the optimal and efficient management of water resources. With this respect, a two-objective socioeconomic model (aimed at job creation) has been presented in this study for the optimum allocation of water resources to industry, agriculture and municipal water sectors. In the agriculture sector, the production function of each product has been determined and then, based on the production functions, areas under cultivation, product yield and the income obtained from each product, the combined objective function has been specified. In the industry sector, since water demand is a function of the amount of produced products, price of supplied water and the price of other supplies, the demand function of this sector was determined regionally. Also, considering the existing necessity in meeting the municipal water requirement, the total amount of water needed by this sector was fully allocated. Then by using two meta-heuristic algorithms, i.e. genetic algorithm (GA) and particle swarm optimization (PSO), the objective functions were maximized and the water resources were optimally allocated between agriculture and industry sectors and the results were compared. Ultimately, comparing the results gained by PSO and GA algorithms, PSO with an economic and profit growth of 54 % and a 13 % rise in employment relative to the base condition, turned out to be more efficient in this application.     

Investigating the mechanism of the effect of cerium additives on the properties of the iron-potassium system-the active component of dehydrogenation catalysts of hydrocarbons Report 2

The properties of the Fe₂O₃-K₂O and Fe₂O₃-K₂O-CeO₂ model systems with weight ratios of 80 : 20 and 50 : 20: 30, respectively, are studied by means of thermal, magnetic, X-ray and dispersion analysis, and low-temperature nitrogen adsorption. It is found that the successive formation of mono- and polyferrite phase occurs during the interaction of iron oxide and potassium carbonate. It is proposed that the activity of the iron-potassium catalyst is proportional to the content of the surface monoferrite phase. It is found that introducing cerium into the iron-potassium system leads to a redistribution of potassium mono- and polyferrites in the ferrite phase, raising the proportion of monoferrite. Introducing cerium therefore promotes the activity of the catalyst system. The results from this study will be used to develop new iron-potassium catalysts with high catalytic activity in the dehydrogenation of isoamylenes into isoprene.